N-benzyl-2-chloro-5-(trifluoromethyl)aniline

C14H11ClF3N — CID 28517323

IUPACN-benzyl-2-chloro-5-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccc(Cl)c(NCc2ccccc2)c1
InChIInChI=1S/C14H11ClF3N/c15-12-7-6-11(14(16,17)18)8-13(12)19-9-10-4-2-1-3-5-10/h1-8,19H,9H2
InChIKeyZYWGVOHXHFOEGG-UHFFFAOYSA-N
MW285.70 g/mol
LogP4.97
Rot. Bonds3

About N-benzyl-2-chloro-5-(trifluoromethyl)aniline

N-benzyl-2-chloro-5-(trifluoromethyl)aniline (PubChem CID 28517323) has the molecular formula C14H11ClF3N and a molecular weight of 285.70 g/mol. Its IUPAC name is N-benzyl-2-chloro-5-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-benzyl-2-chloro-5-(trifluoromethyl)aniline
PubChem CID28517323
Molecular FormulaC14H11ClF3N
Molecular Weight285.70 g/mol
Exact Mass285.05
IUPAC NameN-benzyl-2-chloro-5-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccc(Cl)c(NCc2ccccc2)c1
InChIInChI=1S/C14H11ClF3N/c15-12-7-6-11(14(16,17)18)8-13(12)19-9-10-4-2-1-3-5-10/h1-8,19H,9H2
InChIKeyZYWGVOHXHFOEGG-UHFFFAOYSA-N
XLogP4.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.70
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-chloro-5-(trifluoromethyl)aniline?
The IUPAC name of N-benzyl-2-chloro-5-(trifluoromethyl)aniline (CID 28517323) is N-benzyl-2-chloro-5-(trifluoromethyl)aniline.
What is the SMILES notation for N-benzyl-2-chloro-5-(trifluoromethyl)aniline?
The canonical SMILES for N-benzyl-2-chloro-5-(trifluoromethyl)aniline is FC(F)(F)c1ccc(Cl)c(NCc2ccccc2)c1.
What is the InChIKey of N-benzyl-2-chloro-5-(trifluoromethyl)aniline?
The InChIKey is ZYWGVOHXHFOEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3N/c15-12-7-6-11(14(16,17)18)8-13(12)19-9-10-4-2-1-3-5-10/h1-8,19H,9H2.
What are the key properties of N-benzyl-2-chloro-5-(trifluoromethyl)aniline?
N-benzyl-2-chloro-5-(trifluoromethyl)aniline has a molecular weight of 285.70 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-chloro-5-(trifluoromethyl)aniline is sourced from PubChem (CID 28517323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).